Glycoside
GD077225
Name:
NoneFormula:
C16H25O7N2SSmiles:
CO[C@H]1[C@H](NC(=O)c2ccccc2)[C@H](OC)O[C@H](C[NH3+])[C@H]1OS(C)(=O)=OAglycone:
CS(=O)(=O)O.NC(=O)c1ccccc1Sugarmoiety:
COC1OC(C[NH3+])C(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 389.45 | Num_heavy_atoms: | 26 |
| TPSA: | 127.8 | NumAromaticRings: | 1 |
Unique Aglycone
AD00013
Formula: CH4O3S
Smiles:
CS(=O)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.11 | Num_heavy_atoms: | 5 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
AD01413
Formula: C7H7ON
Smiles:
NC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.14 | Num_heavy_atoms: | 9 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
